SCHEMBL10322333

SCHEMBL10322333

Cc1cc2c(cc1CC(C)N)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14473064 0.85 TAAR1 (0.43) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL31544886 0.80 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL11693127 0.80 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL5304149 0.80 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL29543960 0.79 TAAR1 (0.59) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL5480610 0.79 TAAR1 (0.59) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL27040868 0.79 TAAR1 (0.59) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL23389352 0.77 TAAR1 (0.49) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL30289794 0.77 TAAR1 (0.53) TAAR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL29417349 0.77 HTR2A (0.64) TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2022-02-03 US disclosed
US-11208475-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using serotonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-12-28 US disclosed
US-20210283217-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-16 US disclosed
US-11059886-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-07-13 US disclosed
US-20210177823-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-17 US disclosed
US-11034751-B1 Methods and compositions for treating cancer using serotonin receptor inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-06-15 US disclosed
US-20200360364-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CHRNA6 ACTIVATORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2020-11-19 US disclosed
US-10683352-B1 Methods for treating cancer using GRM8 inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-16 US disclosed
US-20190240293-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE CYGNAL THERAPEUTICS, INC. 2019-08-08 US disclosed
US-20190233527-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CALCITONIN RECEPTOR ACTIVATORS FLAGSHIP PIONEERING, INC. 2019-08-01 US disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS CHRNA6, CHRNA1, CHRNB1 TAAR1 250/4885SLC6A4 510/4885SLC6A2 189/4885
US-20200360364-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CHRNA6 ACTIVATORS CHRNA6, CHRNA1, CHRNG TAAR1 135/4885SLC6A4 2375/4885SLC6A2 1178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.